(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C25H19FN6O5 — CID 46199657

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cccnc5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H19FN6O5/c1-36-17-5-4-13-11-32(22(33)20(13)21(17)26)12-25(23(34)30-24(35)31-25)18-9-15-16(37-18)6-7-19(29-15)28-14-3-2-8-27-10-14/h2-10H,11-12H2,1H3,(H,28,29)(H2,30,31,34,35)/t25-/m0/s1
InChIKeyGUZMRBHSTSVDGL-VWLOTQADSA-N
MW502.46 g/mol
LogP2.80
Rot. Bonds6

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 46199657) has the molecular formula C25H19FN6O5 and a molecular weight of 502.46 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID46199657
Molecular FormulaC25H19FN6O5
Molecular Weight502.46 g/mol
Exact Mass502.14
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cccnc5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H19FN6O5/c1-36-17-5-4-13-11-32(22(33)20(13)21(17)26)12-25(23(34)30-24(35)31-25)18-9-15-16(37-18)6-7-19(29-15)28-14-3-2-8-27-10-14/h2-10H,11-12H2,1H3,(H,28,29)(H2,30,31,34,35)/t25-/m0/s1
InChIKeyGUZMRBHSTSVDGL-VWLOTQADSA-N
XLogP2.80
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 46199657) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cccnc5)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is GUZMRBHSTSVDGL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H19FN6O5/c1-36-17-5-4-13-11-32(22(33)20(13)21(17)26)12-25(23(34)30-24(35)31-25)18-9-15-16(37-18)6-7-19(29-15)28-14-3-2-8-27-10-14/h2-10H,11-12H2,1H3,(H,28,29)(H2,30,31,34,35)/t25-/m0/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 502.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 46199657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).